索拉非尼
TL;DR: 索拉非尼 (CAS 475213-01-5) is a chemical compound with molecular formula C21H16ClF3N4O3 and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
索拉非尼
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Also Known As: Sorafenib, Nexavar, Sorafenib tosylate, sorafenibum, Donafenib
| Molecular Formula | C21H16ClF3N4O3 |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.0863 |
| Heavy Atoms | 32 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 475213-01-5 |
|---|---|
| SMILES | CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
| InChIKey | MLDQJTXFUGDVEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
索拉非尼 (CAS 475213-01-5), with molecular formula C21H16ClF3N4O3 and molecular weight 464.09 g/mol. IUPAC: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
Chemical Property Profile of 索拉非尼
Property Insights of 索拉非尼
The XLogP value of 4.1 indicates that 索拉非尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 索拉非尼. Following Lipinski's Rule of Five, 索拉非尼 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 索拉非尼?
The CAS number of 索拉非尼 is 475213-01-5.
What is the molecular formula of 索拉非尼?
The molecular formula of 索拉非尼 is C21H16ClF3N4O3.
What is the molecular weight of 索拉非尼?
The molecular weight of 索拉非尼 is 464.09 g/mol.
Where can I buy 索拉非尼?
You can request a quote for 索拉非尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 索拉非尼?
Yes, KEHONG BIO provides custom synthesis services for 索拉非尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.